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Dr.  Feixas Gerones, Ferran

Plana personal

Feixas Gerones, Ferran
Categoria
INVESTIGADOR PROGRAMA RAMON Y CAJAL
Departament
QUÍMICA
Àrea de coneixement
QUÍMICA FÍSICA
Institut
INSTITUT DE QUÍMICA COMPUTACIONAL I CATÀLISI
Grup de recerca
Grup de Recerca en Química Teòrica dels Biosistemes (TCBioSys)
ORCID PRC:
0000-0001-5147-0000

Articles Científics

  • García-Rodeja, Y.; Feixas, F.; Matito, E.; Solà, M.  "Three-centre electron sharing indices (3c-ESI) as a tool to differentiate among (an)agostic interactions and hydrogen bonds in transition metal complexes."  Physical Chemistry Chemical Physics  24 (2022):  29333-29337.
  • Helena Girame; Marc Garcia-Borràs; Ferran Feixas  "Changes in Protonation States of In-Pathway Residues can Alter Ligand Binding Pathways Obtained From Spontaneous Binding Molecular Dynamics Simulations."  Frontiers In Molecular Biosciences  9 (2022):  -.
  • Ricard López-Coll; Rubén Álvarez-Yebra; Ferran Feixas; Agustí Lledó  "Comprehensive characterization of the self-folding cavitand dynamics."  Chemistry-A European Journal  27 (2021):  10099-10106.
  • Sandra Codony, Carla Calvó-Tusell, Elena Valverde, Sílvia Osuna, Christophe Morisseau, M Isabel Loza, José Brea, Concepción Pérez, María Isabel Rodríguez-Franco, Javier Pizarro-Delgado, Rubén Corpas, Christian Griñán-Ferré, M  "From the Design to the In Vivo Evaluation of Benzohomoadamantane-Derived Soluble Epoxide Hydrolase Inhibitors for the Treatment of Acute Pancreatitis."  Journal of Medicinal Chemistry  64 (2021):  5429-5446.
  • Guangyue Li; Youcai Qin; Nicolas T. Fontaine; Matthieu Ng Fuk Chong; Miguel A. Maria-Solano; Ferran Feixas; Xavier F. Cadet; Rudy Pandjaitan; Marc Garcia-Borràs; Frederic Cadet; Manfred T. Reetz  "Machine Learning Enables Selection of Epistatic Enzyme Mutants for Stability Against Unfolding and Detrimental Aggregation."  ChemBioChem   (2020):  -.
  • Cristina García-Simón; Cédric Colomban; Yarkin Aybars Çetin; Ana Gimeno; Míriam Pujals, Ernest Ubasart; Carles Fuertes-Espinosa; Karam Asad; Nikos Chronakis; Miquel Costas; Jesús Jiménez-Barbero*; Ferran Feixas*; Xavi Ribas*  "Complete dynamic reconstruction of C60, C70, and (C59N)2 encapsulation into an adaptable supramolecular nanocapsule."  Journal of the American Chemical Society  142 (2020):  16051-16063.
  • Codony, S.; Pujol, E.; Pizarro-Delgado, J.; Feixas, F.; Valverde, E.; Loza, M. I.; Brea, J. M.; Sáez, E.; Oyarzabal, J.; Pineda-Lucena, A.; Pérez, B.; Perez, C.; Rodríguez-Franco, M. I.; Leiva, R.; Osuna, S.; Morisseau, C.; H  "2-Oxaadamant-1-yl ureas as soluble epoxide hydrolase inhibitors: in vivo evaluation in a murine model of acute pancreatitis."  Journal of Medicinal Chemistry   (2020):  -.
  • Liutkus, M.; López-Andarias, A.; Mejías, S. H.; López-Andarias, J.; Gil-Carton, D.; Feixas, F.; Osuna, S.; Matsuda, W.; Sakurai, T.; Seki, S.; Atienza, C.; Martín, N.; Cortajarena, A. L.  "Protein-directed crystalline 2D fullerene assemblies."  Nanoscale  12 (2020):  3614-3622.
  • Christian Curado-Carballada; Ferran Feixas; Sílvia Osuna  "Molecular Dynamics Simulations on Aspergillus niger Monoamine Oxidase: Conformational Dynamics and Inter‐monomer Communication Essential for Its Efficient Catalysis."  Advanced Synthesis and Catalysis  361 (2019):  2718-2726.
  • Christian Curado-Carballada ; Ferran Feixas; Javier Iglesias-Fernández; Silvia Osuna  "Hidden conformations in Aspergillus niger Monoamine Oxidase key for catalytic efficiency."  Angewandte Chemie International Edition   (2019):  -.
  • Arqué, X.; Romero-Rivera, A.; Feixas, F.; Patiño, T*.; Osuna, S*., Sánchez, S*.  "Intrinsic enzymatic properties modulate the self-propulsion of micromotors."  Nature Communications  10 (2019):  2826-.
  • Tomás-Loba, A.; Manieri, E.; González-Terán, B.; Mora, A:; Leiva-Vega, L.; Santamans, A. M.; Romero-Becerra, R.; Rodríguez, E.; Pintor-Chocano, A.; Feixas, F.; López, J. A.; Caballero, B.; Trakala, M.; Blanco, O.; Torres, J.   "p38 gamma is essential for cell cycle progression and liver tumourigenesis."  Nature  568 (2019):  557-560.
  • Serrano‐Hervás, E.; Casadevall, G.; Garcia‐Borràs, M.; Feixas, F.; Osuna, S.  "Epoxide hydrolase conformational heterogeneity for the resolution of bulky pharmacologically relevant epoxide substrates."  Chemistry-A European Journal  24 (2018):  12254-12258.
  • Ouissam El Bakouri; Verònica Postils; Marc Garcia-Borràs; Miquel Duran; Josep M. Luis; Simone Calvello; Alessandro Soncini; Eduard Matito; Ferran Feixas; Miquel Solà  "Metal Cluster Electrides: a new Type of Molecular Electrides with Delocalised Polyattractor Character."  Chemistry-A European Journal  24 (2018):  9853-9859.
  • J. López-Andarias; S. H. Mejías; T. Sakurai; W. Matsuda; S. Seki; F. Feixas; S. Osuna; C. Atienza; N. Martín; A. L. Cortajarena  "Toward Bioelectronic Nanomaterials: Photoconductivity in Protein-Porphyrin Hybrids Wrapped around SWCNT."  Advanced Functional Materials  28 (2018):  1704031-.
  • K. Jorner; A. Dreos; R. Emanuelsson; O. El Bakouri; I. Fdez. Galván; K. Börjesson; F. Feixas*; R. Lindh*; Burkhard Zietz;* Kasper Moth-Poulsen*; Henrik Ottosson* (*The author is the corresponding author)  "Unraveling factors leading to efficient norbornadiene-quadricyclane molecular solar-thermal energy storage systems."  Journal Of Materials Chemistry a   (2017):  -.
  • Rodriguez-Mayorga M., Ramos-Cordoba E., Feixas F., Matito E.  "Electron correlation effects in third-order densities."  Physical Chemistry Chemical Physics   (2017):  -.
  • El Bakouri, O.; Poater, J.; Feixas, F.; Solà, M.  "Exploring the validity of the Glidewell-Lloyd extension of Clar's &p.-sextet rule: assessment from polycyclic conjugated hydrocarbons."  Theoretical Chemistry Accounts: Theory, Computation, and Modeling  135 (2016):  art.205-.
  • Jorner, K.; Feixas, F.; Ayub, R.; Lindh, R.; Solà, M.; Ottosson, H.  "Analysis of a Compound with Triplet States Stabilized by Potentially Baird-Aromatic [10] Annulenyl Dicationic Rings."  Chemistry-A European Journal  22 (2016):  2793-2800.
  • El Bakouri, O; Duran, M; Poater, J; Feixas, F*; Solà, M*  "Octahedral aromaticity in 2S+1A1g X6q clusters (X = Li-C and Be-Si, S = 0-3, and q = −2 to +4)."  Physical Chemistry Chemical Physics  18 (2016):  11700-11588.
  • F. Feixas; M. Rodríguez-Mayorga; E. Matito and M. Solà.   "Three-center bonding analyzed from correlated and uncorrelated third-order reduced density matrices."  Computational and Theoretical Chemistry  1053 (2015):  173-179.
  • Miao, Y; Feixas, F; Eun, C; McCammon, JA  "Accelerated molecular dynamics simulations of protein folding."  Journal of Computational Chemistry  36 (2015):  1536-1549.
  • Kim, M.O.‡; Feng, X.‡; Feixas, F.‡, Zhu, W.; Lindert, S.; Bogue, S.; Sinko, W.; de Oliveira, C. A. F.; Rao, G.; Oldfield, E.; McCammon, J. A. (‡ These authors have equally contributed to this work)  "A Molecular Dynamics Investigation of Mycobacterium tuberculosis Prenyl Synthases: Conformational Flexibility and Implications for Computer-aided Drug Discovery."  Chemical Biology & Drug Design  85 (2015):  756-769.
  • Beltran-Alvarez P; Feixas F; Osuna S; Díaz-Hernandez R; Brugada R; Pagans S.   "Interplay between R513 methylation and S516 phosphorylation of the cardiac voltage-gated sodium channel."  Amino Acids  47 (2014):  429-434.
  • Sinko, W.; Wang, Y.; Zhu, W.; Zhang, Y.; Feixas, F.; Cox, C.; Mitchell, D. A.; Oldfield, E.; McCammon, J.A.  "Undecaprenyl Diphosphate Synthase Inhibitors: Antibacterial Drug Leads."  Journal of Medicinal Chemistry  57 (2014):  5693-5701.
  • Feixas, F.; Poater, J.; Matito, E.; Solà, M.  "Aromaticity of Organic and Inorganic Heterocycles ."  Topics in heterocyclic chemistry  38 (2014):  129-160.
  • Feixas, F.; Solà, M.; Barroso, J. M.; Ugalde, J. M.; Matito, E.  "New approximation to the third-order density. Application to the calculation of correlated multicenter indices."  Journal of Chemical Theory and Computation  10 (2014):  3055-3065.
  • Feixas, F.; Matito, E.; Poater, J.; Duran, M.; Solà, M.  "Aromaticity and electronic delocalization in all-metal clusters with single, double, and triple aromatic character."  Theoretical Chemistry Accounts: Theory, Computation, and Modeling  128 (2011):  419-431.
  • Feixas, F.; Poater, J.; Matito, E.; Solà, M.  "Understanding Conjugation and Hyperconjugation from Electronic Delocalization Measures."  Journal of Physical Chemistry A  115 (2011):  13104-13113.
  • Leyva, V.; Corral, I.; Feixas, F.; Migani, A.; Blancafort, L.; González-Vázquez, J.; González, L.  "A non-adiabatic quantum-classical dynamics study of the intramolecular excited state hydrogen transfer in ortho-Nitrobenzaldehyde."  Physical Chemistry Chemical Physics  13 (2011):  14685-14694.
  • Feixas, F.; Vandenbusche, J.; Bultinck, P.; Matito, E.; Solà, M.  "Electron delocalization and aromaticity in low-lying excited states of archetypal organic compounds ."  Physical Chemistry Chemical Physics  13 (2011):  20690-20703.
  • Migani, A.; Leyva, V.; Feixas, F.; Schmierer, T.; Gilch, P.; Corral, I.; González, L.; Blancafort, L.  "Ultrafast Irreversible Phototautomerization of ortho-Nitrobenzaldehyde."  Chemical Communications  47 (2011):  6383-6385.
  • Poater, J.; Feixas, F.; Bickelhaupt, F. M.; Solà, M.  "All-metal aromatic clusters M42− (M = B, Al, and Ga). Are π-electrons distortive or not?."  Physical Chemistry Chemical Physics  13 (2011):  20673-20681.
  • Foroutan-Nejad, C.; Shahbazian, S.; Feixas, F.; Rashidi-Ranjbar, P.; Solà, M.  "A Dissected Ring Current Model for Assessing Magnetic Aromaticity: A General Approach for Both Organic and Inorganic Rings."  Journal of Computational Chemistry  32 (2011):  2422-2431.
  • Solà, M.; Feixas, F.; Jimenez Halla, J.O.C.; Matito, E.; Poater, J.  "A Critical assessment of the performance of magnetic and electronic indices of aromaticity."  Symmetry  2 (2010):  1156-1179.
  • Feixas, F.; Matito, E.; Solà, M.; Poater, J.  "Patterns of pi-electron delocalization in aromatic and antiaromatic organic compounds in the light of the Hückel's 4n+2 rule."  Physical Chemistry Chemical Physics  12 (2010):  7126-7137.
  • Feixas, F.; Matito, E.; Solà, M.; Duran, M.; Silvi, B.  "The Electron Localization Function at the Correlated Level: A Natural Orbital Formulation."  Journal of Chemical Theory and Computation  6 (2010):  2736-2742.
  • Feixas, F.; Jimenez Halla, J.O.C.; Matito, E.; Poater, J.; Solà, M.  "A Test to Evaluate the Performance of Aromaticity Descriptors in All-Metal and Semimetal Clusters. An Appraisal of Electronic and Magnetic Indicators of Aromaticity."  Journal of Chemical Theory and Computation  6 (2010):  1118-1130.
  • Feixas, F.; Ponec, R.; Fiser, J.; Schröder, D.; Roithová, J.; Price, S.D.  "Bonding analysis of the [C2O4]2+ intermediate formed in the reaction of CO22+ with neutral CO2.."  Journal of Physical Chemistry A  114 (2010):  6681-6688.
  • Ponec, R.; Feixas, F.  "Domain Averaged Fermi Hole Analysis for Open-Shell Systems."  Journal of Physical Chemistry A  113 (2009):  5573-5579.
  • Feixas, F.; Solà, M.; Swart, M.  "Chemical Bonding and Aromaticity in Metalloporphyrins."  Canadian Journal of Chemistry-Revue Canadienne de Chimie  87 (2009):  1063-1073.
  • Ponec, R.; Feixas, F.  "Peculiarities of Multiple Cr-Cr Bondng. Insights from the Analysis of Domain-Averaged Fermi Holes."  Journal of Physical Chemistry A  113 (2009):  8394-8400.
  • Leyva, V.; Corral, I.; Schmierer, T.; Heinz, B.; Feixas, F.; Migani, A.; Blancafort, L.; Gilch, P.; González, L.  "Electronic states of o-nitrobenzaldehyde: a combined experimental and theoretical study."  Journal of Physical Chemistry A  112 (2008):  5046-5053.
  • Feixas, F.; Matito, E.; Poater, J.; Solà, M.  "On The performance of some aromaticity indices: a critical assessment using a test set ."  Journal of Computational Chemistry  29 (2008):  1543-1554.
  • Feixas, F.; Matito, E.; Solà, M.; Poater, J.  "Analysis of Hückel's [4n+2] rule through Electronic Delocalization Measures."  Journal of Physical Chemistry A  112 (2008):  13231-13238.
  • Matito, E.; Feixas, F.; Solà, M.  "Electron delocalization and aromaticity measures within the Hückel molecular orbital method ."  Journal of Molecular Structure-Theochem  811 (2007):  3-11.
  • Feixas, F.; Jimenez Halla, J.O.C.; Matito, E.; Poater, J.; Solà, M.   "Is the aromaticity of the benzene ring in the (&h.6-C6H6)Cr(CO)3 complex larger than that of the isolated benzene molecule?."  Polish Journal of Chemistry  81 (2007):  783-797.
  • Feixas, F.; Matito, E.; Poater, J.; Solà, M.  "Aromaticity of distorted benzene rings. Exploring the validity of different indicators of aromaticity."  Journal of Physical Chemistry A  111 (2007):  4513-4521.

Reviews

  • Feixas, F.; Matito, E.; Poater, J.; M. Solà  "Quantifying Aromaticity with Electron Delocalisation Measures."  Chemical Society Reviews  44 (2015):  6434-6451.
  • Feixas, F.; Lindert, S.; Sinko, W.; McCammon, J.A.  "Exploring the role of receptor flexibility in structure-based drug discovery. (Special Issue: Conformational Selection) ."  Biophysical Chemistry  186 (2014):  31-45.
  • Feixas, F.; Matito, E.; Poater, J.; Solà, M.  "Metalloaromaticity."  WIRES Computational Molecular Science  3 (2013):  105-122.

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